CID 215375

Urea, n-(4-nitrophenyl)-n'-2-oxazolyl-

Structural Information

Molecular Formula
C10H8N4O4
SMILES
C1=CC(=CC=C1NC(=O)NC2=NC=CO2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O4/c15-9(13-10-11-5-6-18-10)12-7-1-3-8(4-2-7)14(16)17/h1-6H,(H2,11,12,13,15)
InChIKey
NFNMBVGVKBNQEC-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-3-(1,3-oxazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.05455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.061826 148.7
[M+Na]+ 271.043768 154.1
[M-H]- 247.047274 155.2
[M+NH4]+ 266.088373 162.8
[M+K]+ 287.017708 149.2
[M+H-H2O]+ 231.051810 144.7
[M+HCOO]- 293.052751 175.5
[M+CH3COO]- 307.068401 187.6
[M+Na-2H]- 269.029216 158.1
[M]+ 248.05400142 147.0
[M]- 248.05509858 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe